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2-{[5-[(4-chlorophenoxy)methyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4-dimethoxyphenyl)acetamide

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2-{[5-[(4-chlorophenoxy)methyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4-dimethoxyphenyl)acetamide
SpectraBase Compound ID 9YsdT7tYUWW
InChI InChI=1S/C26H25ClN4O5S/c1-33-19-10-6-18(7-11-19)31-24(15-36-20-8-4-17(27)5-9-20)29-30-26(31)37-16-25(32)28-22-13-12-21(34-2)14-23(22)35-3/h4-14H,15-16H2,1-3H3,(H,28,32)
InChIKey CLANZFMTEBKBBO-UHFFFAOYSA-N
Mol Weight 541.02 g/mol
Molecular Formula C26H25ClN4O5S
Exact Mass 540.123419 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CCn5aylnFSd
Name 2-{[5-[(4-chlorophenoxy)methyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4-dimethoxyphenyl)acetamide
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C26H25ClN4O5S/c1-33-19-10-6-18(7-11-19)31-24(15-36-20-8-4-17(27)5-9-20)29-30-26(31)37-16-25(32)28-22-13-12-21(34-2)14-23(22)35-3/h4-14H,15-16H2,1-3H3,(H,28,32)
InChIKey CLANZFMTEBKBBO-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11111
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: E06102; Labnumber: GRES-16117; SBI_ID: SBI-011114
Temperature 306 °C